Products Categories
CAS No.: | 81228-09-3 |
---|---|
Name: | 2,4-Difluorophenylacetic acid |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C8H6F2O2 |
Molecular Weight: | 172.131 |
Synonyms: | 2-(2,4-difluorophenyl)acetic acid;2-(2,4-difluorophenyl)acetate;2,4-difluorophenyl acetic acid; |
EINECS: | 279-709-4 |
Density: | 1.373 g/cm3 |
Melting Point: | 115-118 °C(lit.) |
Boiling Point: | 257.2 °C at 760 mmHg |
Flash Point: | 109.4 °C |
Solubility: | very soluble in water |
Appearance: | white crystal |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 37.30000 |
LogP: | 1.59190 |
What can I do for you?
Get Best Price
The CAS register number of 2,4-Difluorophenylacetic acid is 81228-09-3. It also can be called as Benzeneacetic acid, 2,4-difluoro- and the IUPAC name about this chemical is 2-(2,4-difluorophenyl)acetic acid. The molecular formula about this chemical is C8H6F2O2 and the molecular weight is 172.13. It belongs to the following product categories which include Phenylacetic acid series; Aromatic Phenylacetic Acids and Derivatives; Phenylacetic acid; Miscellaneous; C8; Carbonyl Compounds; Carboxylic Acids and so on.
Physical properties about 2,4-Difluorophenylacetic acid are: (1)ACD/LogP: 1.65; (2)ACD/LogD (pH 5.5): 0.12; (3)ACD/LogD (pH 7.4): -1.61; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.53; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3Å2; (12)Index of Refraction: 1.508; (13)Molar Refractivity: 37.35 cm3; (14)Molar Volume: 125.2 cm3; (15)Polarizability: 14.8x10-24cm3; (16)Surface Tension: 42.4 dyne/cm; (17)Enthalpy of Vaporization: 52.27 kJ/mol; (18)Boiling Point: 257.2 °C at 760 mmHg; (19)Vapour Pressure: 0.00757 mmHg at 25°C.
Uses of 2,4-Difluorophenylacetic acid: it can be used to produce {(2-tert-butoxycarbonylamino-ethyl)-[(2,4-difluoro-phenyl)-acetyl]-amino}-acetic acid ethyl ester with (2-tert-butoxycarbonylamino-ethylamino)-acetic acid ethyl ester at temperature of 0 - 20 ℃. This reaction will need reagent 3,4-dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine, DCC, Et3N and solvent dimethylformamide. The yield is about 51%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(F)ccc1CC(=O)O
(2)InChI: InChI=1/C8H6F2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)
(3)InChIKey: QPKZIGHNRLZBCL-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H6F2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)
(5)Std. InChIKey: QPKZIGHNRLZBCL-UHFFFAOYSA-N